# ##################################################################################################
#  Disclaimer                                                                                      #
#  This file is a python3 translation of AutoDockTools (v.1.5.7)                                   #
#  Modifications made by Valdes-Tresanco MS (https://github.com/Valdes-Tresanco-MS)                #
#  Tested by Valdes-Tresanco-MS and Valdes-Tresanco ME                                             #
#  There is no guarantee that it works like the original distribution,                             #
#  but feel free to tell us if you get any difference to correct the code.                         #
#                                                                                                  #
#  Please use this cite the original reference.                                                    #
#  If you think my work helps you, just keep this note intact on your program.                     #
#                                                                                                  #
#  Modification date: 4/7/20 5:48                                                                  #
#                                                                                                  #
# ##################################################################################################

all_aminoct94_dat = {
    "TYR": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.049, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.049, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE2', 'CD2', 'HD2'],
                           ['CD2', 'CZ', 'CE2', 'HE2'], ['CD1', 'CZ', 'CE1', 'HE1'], ['CG', 'CE1', 'CD1', 'HD1'],
                           ['CD1', 'CD2', 'CG', 'CB'], ['CE1', 'CE2', 'CZ', 'OH']],
            "INTX,KFORM": ['INT', '1'],
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.178, 'type': 'HA'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OH": {'torsion': 180.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.36,
                   'charge': -0.5643, 'type': 'OH'},
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.178, 'type': 'HA'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1673, 'type': 'HA'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1673, 'type': 'HA'},
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 21, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.1922, 'type': 'CA'},
            "NAMRES": 'TYROSINE  COO- ANION',
            "CD1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.1922, 'type': 'CA'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'OH', 'HH',
                           'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.2458, 'type': 'CA'},
            "CE2": {'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 19, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.2458, 'type': 'CA'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1092, 'type': 'H1'},
            "HH": {'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 113.0, 'blen': 0.96,
                   'charge': 0.4017, 'type': 'HO'},
            "CZ": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4,
                   'charge': 0.3395, 'type': 'C'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 24, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.807, 'type': 'O2'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51,
                   'charge': 0.0243, 'type': 'CA'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.2015, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0752, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 25, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.807, 'type': 'O2'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 23, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.7817, 'type': 'C'},
            },
    "ASN": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1023, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1023, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'ND2', 'HD21', 'HD22', 'C', 'O',
                           'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "ND2": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 116.6, 'blen': 1.335,
                    'charge': -0.9084, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8147, 'type': 'O2'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.2299, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CB', 'ND2', 'CG', 'OD1'],
                           ['CG', 'HD21', 'ND2', 'HD22']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1358, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                   'charge': 0.7153, 'type': 'C'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.208, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD21": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.415, 'type': 'H'},
            "OD1": {'torsion': 0.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.601, 'type': 'O'},
            "HD22": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.415, 'type': 'H'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.805, 'type': 'C'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8147, 'type': 'O2'},
            "NAMRES": 'ASPARAGINE    COO- ANION',
            },
    "CYS": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1437, 'type': 'H1'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1437, 'type': 'H1'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'HSG', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "SG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81,
                   'charge': -0.3102, 'type': 'SH'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.7981, 'type': 'O2'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.1996, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1396, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.1635, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HSG": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 96.0, 'blen': 1.33,
                    'charge': 0.2068, 'type': 'HS'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.7497, 'type': 'C'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.7981, 'type': 'O2'},
            "NAMRES": 'CYSTEINE  COO- ANION',
            },
    "ARG": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0371, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0371, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['NE', 'NH1', 'CZ', 'NH2'],
                           ['CD', 'CZ', 'NE', 'HE'], ['CZ', 'HH11', 'NH1', 'HH12'], ['CZ', 'HH21', 'NH2', 'HH22']],
            "HH11": {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 21, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4493, 'type': 'H'},
            "HH12": {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 22, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4493, 'type': 'H'},
            "HH21": {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 24, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4493, 'type': 'H'},
            "HH22": {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 25, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4493, 'type': 'H'},
            "INTX,KFORM": ['INT', '1'],
            "NE": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 111.0, 'blen': 1.48,
                   'charge': -0.5564, 'type': 'N2'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0185, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3481, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD2": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0468, 'type': 'H1'},
            "HD3": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0468, 'type': 'H1'},
            "NAMRES": 'ARGININE  COO- ANION',
            "HE": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 118.5, 'blen': 1.01,
                   'charge': 0.3479, 'type': 'H'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'NE', 'HE',
                           'CZ', 'NH1', 'HH11', 'HH12', 'NH2', 'HH21', 'HH22', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NH2": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 23, 'angle': 118.0, 'blen': 1.33,
                    'charge': -0.8737, 'type': 'N2'},
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0185, 'type': 'HC'},
            "NH1": {'torsion': 0.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 122.0, 'blen': 1.33,
                    'charge': -0.8737, 'type': 'N2'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1447, 'type': 'H1'},
            "CZ": {'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 123.0, 'blen': 1.33,
                   'charge': 0.8368, 'type': 'CA'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2764, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.1114, 'type': 'CT'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8266, 'type': 'O2'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.0744, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.3068, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0374, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 28, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8266, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.8557, 'type': 'C'},
            },
    "LEU": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0974, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0974, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "NAMRES": 'LEUCINE  COO- ANION',
            "HG": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                   'charge': -0.0374, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG', 'CD1', 'HD11', 'HD12', 'HD13', 'CD2',
                           'HD21', 'HD22', 'HD23', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HD11": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1038, 'type': 'HC'},
            "HD12": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1038, 'type': 'HC'},
            "HD13": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1038, 'type': 'HC'},
            "CD2": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 17, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.4163, 'type': 'CT'},
            "CD1": {'torsion': 60.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.4163, 'type': 'CT'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1346, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8199, 'type': 'O2'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.3706, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.2847, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.2469, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8199, 'type': 'O2'},
            "HD21": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1038, 'type': 'HC'},
            "HD23": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1038, 'type': 'HC'},
            "HD22": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1038, 'type': 'HC'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.8326, 'type': 'C'},
            },
    "HID": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0565, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0565, 'type': 'HC'},
            "NE2": {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.5629, 'type': 'NB'},
            "ND1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.3892, 'type': 'NA'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1'],
                           ['CG', 'NE2', 'CD2', 'HD2'], ['ND1', 'NE2', 'CE1', 'HE1'], ['ND1', 'CD2', 'CG', 'CB']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.1925, 'type': 'CR'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01,
                    'charge': 0.3755, 'type': 'H'},
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1241, 'type': 'H4'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1418, 'type': 'H5'},
            "NAMRES": 'HISTIDINE DELTAH COO- ANION',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE1', 'NE2', 'CD2',
                           'HD2', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 110.0, 'blen': 1.36,
                    'charge': 0.1001, 'type': 'CV'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.11, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8016, 'type': 'O2'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.0293, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.1739, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.1046, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8016, 'type': 'O2'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.7615, 'type': 'C'},
            },
    "HIE": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.062, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.062, 'type': 'HC'},
            "NE2": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.267, 'type': 'NA'},
            "ND1": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.5517, 'type': 'NB'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CE1', 'CD2', 'NE2', 'HE2'],
                           ['CG', 'NE2', 'CD2', 'HD2'], ['ND1', 'NE2', 'CE1', 'HE1'], ['ND1', 'CD2', 'CG', 'CB']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.1558, 'type': 'CR'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 16, 'angle': 125.0, 'blen': 1.01,
                    'charge': 0.3319, 'type': 'H'},
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1957, 'type': 'H4'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1448, 'type': 'H5'},
            "NAMRES": 'HISTIDINE EPSILON-H   COO- ANION',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'CE1', 'HE1', 'NE2', 'HE2', 'CD2',
                           'HD2', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 17, 'angle': 110.0, 'blen': 1.36,
                    'charge': -0.2588, 'type': 'CW'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.165, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8065, 'type': 'O2'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.2724, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.2699, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.1068, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8065, 'type': 'O2'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.7916, 'type': 'C'},
            },
    "MET": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.048, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.048, 'type': 'HC'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8105, 'type': 'O2'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
            "SD": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 110.0, 'blen': 1.81,
                   'charge': -0.2692, 'type': 'S'},
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0317, 'type': 'H1'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0317, 'type': 'H1'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE3": {'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 15, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0625, 'type': 'H1'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 15, 'I': 17, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0625, 'type': 'H1'},
            "HE1": {'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 15, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0625, 'type': 'H1'},
            "NAMRES": 'METHIONINE    COO- ANION',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'SD', 'CE', 'HE1', 'HE2',
                           'HE3', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1277, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "CE": {'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 100.0, 'blen': 1.78,
                   'charge': -0.0376, 'type': 'CT'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.0492, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.2597, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0236, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8105, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.8013, 'type': 'C'},
            },
    "IDBGEN,IREST,ITYPF": ['1', '1', '201'],
    "ALA": {"HB2": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0764, 'type': 'HC'},
            "HB3": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0764, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB1', 'HB2', 'HB3', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HB1": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0764, 'type': 'HC'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8055, 'type': 'O2'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.2093, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1067, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.1747, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.7731, 'type': 'C'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 14, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8055, 'type': 'O2'},
            "NAMRES": 'ALANINE COO- ANION',
            },
    "PHE": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0443, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0443, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE2', 'CD2', 'HD2'],
                           ['CD2', 'CZ', 'CE2', 'HE2'], ['CE1', 'CE2', 'CZ', 'HZ'], ['CD1', 'CZ', 'CE1', 'HE1'],
                           ['CG', 'CE1', 'CD1', 'HD1'], ['CD1', 'CD2', 'CG', 'CB']],
            "INTX,KFORM": ['INT', '1'],
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 20, 'I': 21, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1408, 'type': 'HA'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1408, 'type': 'HA'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1461, 'type': 'HA'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1461, 'type': 'HA'},
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 20, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.13, 'type': 'CA'},
            "NAMRES": 'PHENYLALANINE COO- ANION',
            "CD1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.13, 'type': 'CA'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'HZ',
                           'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.1847, 'type': 'CA'},
            "CE2": {'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.1847, 'type': 'CA'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1098, 'type': 'H1'},
            "CZ": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4,
                   'charge': -0.0944, 'type': 'CA'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 22, 'I': 23, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8026, 'type': 'O2'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.0552, 'type': 'CA'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.1825, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0959, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 22, 'I': 24, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8026, 'type': 'O2'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 22, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.766, 'type': 'C'},
            "HZ": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.128, 'type': 'HA'},
            },
    "CYX": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1228, 'type': 'H1'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1228, 'type': 'H1'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "SG": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81,
                   'charge': -0.0529, 'type': 'S'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8041, 'type': 'O2'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.1943, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0938, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.1318, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.7618, 'type': 'C'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 14, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8041, 'type': 'O2'},
            "NAMRES": 'CYSTINE(S-S BRIDGE)     COO- ANION',
            },
    "PRO": {"HB2": {'torsion': 256.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0381, 'type': 'HC'},
            "HB3": {'torsion': 136.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0381, 'type': 'HC'},
            "impropTors": [['CA', 'OXT', 'C', 'O'], ['-M', 'CD', 'N', 'CA']],
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 98.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0172, 'type': 'HC'},
            "HG2": {'torsion': 218.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0172, 'type': 'HC'},
            "CD": {'torsion': 356.1, 'tree': '3', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 126.1, 'blen': 1.458,
                   'charge': 0.0434, 'type': 'CT'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CA', 'CB']],
            "HD2": {'torsion': 80.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0331, 'type': 'H1'},
            "HD3": {'torsion': 320.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0331, 'type': 'H1'},
            "NAMRES": 'PROLINE COO- ANION',
            "atNameList": ['N', 'CD', 'HD2', 'HD3', 'CG', 'HG2', 'HG3', 'CB', 'HB2', 'HB3', 'CA', 'HA', 'C', 'O',
                           'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA": {'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0776, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 117.0, 'blen': 1.337,
                  'charge': -0.2802, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.7697, 'type': 'O2'},
            "CG": {'torsion': 200.1, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 103.2, 'blen': 1.5,
                   'charge': 0.0466, 'type': 'CT'},
            "CA": {'torsion': 175.2, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 14, 'angle': 120.6, 'blen': 1.451,
                   'charge': -0.1336, 'type': 'CT'},
            "CB": {'torsion': 338.3, 'tree': 'B', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 11, 'angle': 106.0, 'blen': 1.51,
                   'charge': -0.0543, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.7697, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 300.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.522,
                  'charge': 0.6631, 'type': 'C'},
            },
    "LYS": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0482, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0482, 'type': 'HC'},
            "HZ2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 22, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.3374, 'type': 'H'},
            "HZ3": {'torsion': 300.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 23, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.3374, 'type': 'H'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
            "HZ1": {'torsion': 60.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 21, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.3374, 'type': 'H'},
            "NZ": {'torsion': 180.0, 'tree': '3', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.47, 'blen': 1.47,
                   'charge': -0.3741, 'type': 'N3'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 25, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8252, 'type': 'O2'},
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0134, 'type': 'HC'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0134, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3481, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE3": {'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1121, 'type': 'HP'},
            "HE2": {'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1121, 'type': 'HP'},
            "HD2": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0611, 'type': 'HC'},
            "HD3": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0611, 'type': 'HC'},
            "NAMRES": 'LYSINE  COO- ANION',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'CE',
                           'HE2', 'HE3', 'NZ', 'HZ1', 'HZ2', 'HZ3', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1438, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2764, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.0392, 'type': 'CT'},
            "CE": {'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.0176, 'type': 'CT'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.0227, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.2903, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0538, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 26, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8252, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 24, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.8488, 'type': 'C'},
            },
    "NAMDBF": 'db94.dat',
    "SER": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0813, 'type': 'H1'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0813, 'type': 'H1'},
            "HG": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.47, 'blen': 0.96,
                   'charge': 0.4474, 'type': 'HO'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'OG', 'HG', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8132, 'type': 'O2'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.1123, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
            "OG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.43,
                   'charge': -0.6514, 'type': 'OH'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1304, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.2722, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.8113, 'type': 'C'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8132, 'type': 'O2'},
            "NAMRES": 'SERINE  COO- ANION',
            },
    "ASP": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.0212, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.0212, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'OD2', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.7887, 'type': 'O2'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0677, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CB', 'OD1', 'CG', 'OD2']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1046, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.5192, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.8851, 'type': 'C'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.1817, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.3055, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OD2": {'torsion': 270.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.8162, 'type': 'O2'},
            "OD1": {'torsion': 90.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.8162, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.7256, 'type': 'C'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 16, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.7887, 'type': 'O2'},
            "NAMRES": 'ASPARTIC ACID COO- ANION',
            },
    "GLN": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0452, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0452, 'type': 'HC'},
            "NE2": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 116.6, 'blen': 1.335,
                    'charge': -0.9574, 'type': 'N'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'NE2', 'CD', 'OE1'],
                           ['CD', 'HE21', 'NE2', 'HE22']],
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0203, 'type': 'HC'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0203, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.2248, 'type': 'CT'},
            "NAMRES": 'GLUTAMINE     COO- ANION',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'NE2', 'HE21',
                           'HE22', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HE21": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4304, 'type': 'H'},
            "HE22": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4304, 'type': 'H'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1232, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                   'charge': 0.7093, 'type': 'C'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8042, 'type': 'O2'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.021, 'type': 'CT'},
            "OE1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.6098, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0664, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8042, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.7775, 'type': 'C'},
            },
    "GLU": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.0078, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.0078, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'OE1', 'CD', 'OE2']],
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.0548, 'type': 'HC'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.0548, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.5192, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.2059, 'type': 'CT'},
            "OE2": {'torsion': 270.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.822, 'type': 'O2'},
            "NAMRES": 'GLUTAMIC ACID COO- ANION',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'OE2', 'C', 'O',
                           'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1399, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.3055, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.8183, 'type': 'C'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 18, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.793, 'type': 'O2'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51,
                   'charge': 0.0675, 'type': 'CT'},
            "OE1": {'torsion': 90.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.822, 'type': 'O2'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0071, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 19, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.793, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 17, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.742, 'type': 'C'},
            },
    "TRP": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0497, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0497, 'type': 'HC'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 28, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8011, 'type': 'O2'},
            "HZ2": {'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1567, 'type': 'HA'},
            "HZ3": {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1507, 'type': 'HA'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CD1', 'CE2', 'NE1', 'HE1'],
                           ['CE2', 'CH2', 'CZ2', 'HZ2'], ['CZ2', 'CZ3', 'CH2', 'HH2'], ['CH2', 'CE3', 'CZ3', 'HZ3'],
                           ['CZ3', 'CD2', 'CE3', 'HE3'], ['CG', 'NE1', 'CD1', 'HD1'], ['CD1', 'CD2', 'CG', 'CB']],
            "CH2": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 19, 'angle': 116.0, 'blen': 1.39,
                    'charge': -0.102, 'type': 'CA'},
            "CZ3": {'torsion': 0.0, 'tree': 'B', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 21, 'angle': 121.0, 'blen': 1.35,
                    'charge': -0.2287, 'type': 'CA'},
            "NE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 107.0, 'blen': 1.43,
                    'charge': -0.3316, 'type': 'NA'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE3": {'torsion': 180.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 24, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1491, 'type': 'HA'},
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.2043, 'type': 'H4'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 125.5, 'blen': 1.01,
                    'charge': 0.3413, 'type': 'H'},
            "NAMRES": 'TRYPTOPHAN    COO- ANION',
            "CD1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 127.0, 'blen': 1.34,
                    'charge': -0.1808, 'type': 'CW'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'NE1', 'HE1', 'CE2', 'CZ2',
                           'HZ2', 'CH2', 'HH2', 'CZ3', 'HZ3', 'CE3', 'HE3', 'CD2', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 25, 'angle': 117.0, 'blen': 1.4,
                    'charge': 0.1078, 'type': 'CB'},
            "CE2": {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31,
                    'charge': 0.1222, 'type': 'CN'},
            "CE3": {'torsion': 0.0, 'tree': 'B', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 23, 'angle': 122.0, 'blen': 1.41,
                    'charge': -0.1837, 'type': 'CA'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1272, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8011, 'type': 'O2'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': -0.0796, 'type': 'C*'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.2084, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0742, 'type': 'CT'},
            "CZ2": {'torsion': 180.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 128.0, 'blen': 1.4,
                    'charge': -0.2594, 'type': 'CA'},
            "loopList": [['CG', 'CD2'], ['CE2', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.7658, 'type': 'C'},
            "HH2": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1401, 'type': 'HA'},
            },
    "GLY": {"HA3": {'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1056, 'type': 'H1'},
            "atNameList": ['N', 'H', 'CA', 'HA2', 'HA3', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA2": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1056, 'type': 'H1'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.7855, 'type': 'O2'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.2493, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 9, 'angle': 110.4, 'blen': 1.522,
                  'charge': 0.7231, 'type': 'C'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 11, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.7855, 'type': 'O2'},
            "NAMRES": 'GLYCINE COO- ANION',
            },
    "THR": {
        "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'OG1', 'HG1', 'C', 'O', 'OXT'],
        "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                 ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                 ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
        "HG23": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                 'charge': 0.0586, 'type': 'HC'},
        "HB": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
               'charge': 0.0078, 'type': 'H1'},
        "HG22": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                 'charge': 0.0586, 'type': 'HC'},
        "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
               'charge': 0.3025, 'type': 'CT'},
        "HG1": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.47, 'blen': 0.96,
                'charge': 0.4119, 'type': 'HO'},
        "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
               'charge': 0.1207, 'type': 'H1'},
        "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
        "HG21": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09,
                 'charge': 0.0586, 'type': 'HC'},
        "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
              'charge': -0.3821, 'type': 'N'},
        "INTX,KFORM": ['INT', '1'],
        "OG1": {'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.43,
                'charge': -0.6496, 'type': 'OH'},
        "CG2": {'torsion': 300.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                'charge': -0.1853, 'type': 'CT'},
        "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
               'charge': -0.242, 'type': 'CT'},
        "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
              'charge': 0.2681, 'type': 'H'},
        "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
        "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
              'charge': -0.8044, 'type': 'O2'},
        "CUT": ['0.00000'],
        "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522,
              'charge': 0.781, 'type': 'C'},
        "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229,
                'charge': -0.8044, 'type': 'O2'},
        "NAMRES": 'THREONINE     COO- ANION',
        },
    "HIP": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0868, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0868, 'type': 'HC'},
            "NE2": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.1683, 'type': 'NA'},
            "ND1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.1501, 'type': 'NA'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1'],
                           ['CE1', 'CD2', 'NE2', 'HE2'], ['CG', 'NE2', 'CD2', 'HD2'], ['ND1', 'NE2', 'CE1', 'HE1'],
                           ['ND1', 'CD2', 'CG', 'CB']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32,
                    'charge': -0.0251, 'type': 'CR'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01,
                    'charge': 0.3883, 'type': 'H'},
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.2336, 'type': 'H4'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.2694, 'type': 'H5'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 125.0, 'blen': 1.01,
                    'charge': 0.3913, 'type': 'H'},
            "NAMRES": 'HISTIDINE PLUS COO-',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE1', 'NE2', 'HE2',
                           'CD2', 'HD2', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 110.0, 'blen': 1.36,
                    'charge': -0.1256, 'type': 'CW'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1115, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2764, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3481, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 21, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8177, 'type': 'O2'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.0298, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.1445, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.08, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 22, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8177, 'type': 'O2'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 20, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.8032, 'type': 'C'},
            },
    "VAL": {"HG22": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0836, 'type': 'HC'},
            "HG23": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0836, 'type': 'HC'},
            "HG21": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0836, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
            "HG13": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0836, 'type': 'HC'},
            "HG12": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0836, 'type': 'HC'},
            "HG11": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0836, 'type': 'HC'},
            "INTX,KFORM": ['INT', '1'],
            "CG2": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.3064, 'type': 'CT'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CG1": {'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.3064, 'type': 'CT'},
            "NAMRES": 'VALINE  COO- ANION',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG1', 'HG11', 'HG12', 'HG13', 'CG2', 'HG21', 'HG22',
                           'HG23', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HB": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0308, 'type': 'HC'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1438, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 19, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.8173, 'type': 'O2'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.3438, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.194, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.8173, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 18, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.835, 'type': 'C'},
            },
    "ILE": {"HG22": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1021, 'type': 'HC'},
            "HG23": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1021, 'type': 'HC'},
            "HG21": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1021, 'type': 'HC'},
            "HD13": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0196, 'type': 'HC'},
            "HG13": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0321, 'type': 'HC'},
            "HG12": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0321, 'type': 'HC'},
            "INTX,KFORM": ['INT', '1'],
            "CG2": {'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.3498, 'type': 'CT'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CG1": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.0323, 'type': 'CT'},
            "NAMRES": 'ISOLEUCINE    COO- ANION',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'CG1', 'HG12', 'HG13',
                           'CD1', 'HD11', 'HD12', 'HD13', 'C', 'O', 'OXT'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HD11": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0196, 'type': 'HC'},
            "HD12": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0196, 'type': 'HC'},
            "HB": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0766, 'type': 'HC'},
            "CD1": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.0699, 'type': 'CT'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1375, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3821, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.819, 'type': 'O2'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2681, 'type': 'H'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.31, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.0363, 'type': 'CT'},
            "OXT": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.819, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.8343, 'type': 'C'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
            },
    "filename": 'all_aminoct94.in',
}
